(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one

C92H96N8O8S4 — CID 123194599

About (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one

(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 123194599) has the molecular formula C92H96N8O8S4 and a molecular weight of 1570.10 g/mol. Its IUPAC name is (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one
• PubChem CID: 123194599
• Molecular Formula: C92H96N8O8S4
• Molecular Weight: 1570.10 g/mol
• Exact Mass: 1568.62
• IUPAC Name: (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one
• SMILES: Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCCO4)S/C2=N\C(C)C)cc1.Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCO4)S/C2=N\C(C)C)cc1.Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)CCCO4)S/C2=N\C(C)C)c1C.Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)CCO4)S/C2=N\C(C)C)c1C
• InChI: InChI=1S/C24H26N2O2S.2C23H24N2O2S.C22H22N2O2S/c1-15(2)25-24-26(20-9-5-7-16(3)17(20)4)23(27)22(29-24)14-18-10-11-21-19(13-18)8-6-12-28-21;1-14(2)24-23-25(19-7-5-6-15(3)16(19)4)22(26)21(28-23)13-17-8-9-20-18(12-17)10-11-27-20;1-15(2)24-23-25(19-9-6-16(3)7-10-19)22(26)21(28-23)14-17-8-11-20-18(13-17)5-4-12-27-20;1-14(2)23-22-24(18-7-4-15(3)5-8-18)21(25)20(27-22)13-16-6-9-19-17(12-16)10-11-26-19/h5,7,9-11,13-15H,6,8,12H2,1-4H3;5-9,12-14H,10-11H2,1-4H3;6-11,13-15H,4-5,12H2,1-3H3;4-9,12-14H,10-11H2,1-3H3/b22-14-,25-24-;21-13-,24-23-;21-14-,24-23-;20-13-,23-22-
• InChIKey: WHWRFVCRNCQTNT-KOYAKYOMSA-N
• XLogP: 20.66
• TPSA: 167.60 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1570.10
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 123194599) is (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCCO4)S/C2=N\C(C)C)cc1.Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCO4)S/C2=N\C(C)C)cc1.Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)CCCO4)S/C2=N\C(C)C)c1C.Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)CCO4)S/C2=N\C(C)C)c1C.

What is the InChIKey of (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one?

The InChIKey is WHWRFVCRNCQTNT-KOYAKYOMSA-N. The full InChI is InChI=1S/C24H26N2O2S.2C23H24N2O2S.C22H22N2O2S/c1-15(2)25-24-26(20-9-5-7-16(3)17(20)4)23(27)22(29-24)14-18-10-11-21-19(13-18)8-6-12-28-21;1-14(2)24-23-25(19-7-5-6-15(3)16(19)4)22(26)21(28-23)13-17-8-9-20-18(12-17)10-11-27-20;1-15(2)24-23-25(19-9-6-16(3)7-10-19)22(26)21(28-23)14-17-8-11-20-18(13-17)5-4-12-27-20;1-14(2)23-22-24(18-7-4-15(3)5-8-18)21(25)20(27-22)13-16-6-9-19-17(12-16)10-11-26-19/h5,7,9-11,13-15H,6,8,12H2,1-4H3;5-9,12-14H,10-11H2,1-4H3;6-11,13-15H,4-5,12H2,1-3H3;4-9,12-14H,10-11H2,1-3H3/b22-14-,25-24-;21-13-,24-23-;21-14-,24-23-;20-13-,23-22-.

What are the key properties of (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one?

(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 1570.10 g/mol, XLogP of 20.66, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 123194599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).